Simultaneous Quantitation and Discovery (SQUAD) Analysis: Combining the Best of Targeted and Untargeted Mass Spectrometry-Based Metabolomics

Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics

(2023) Yangyang Li et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Semi-Targeted Profiling of Bile Acids by High-Resolution Mass Spectrometry in a Rat Model of Drug-Induced Liver Injury

(2023) Myriam Mireault et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Combining Semi-Targeted Metabolomics and Machine Learning to Identify Metabolic Alterations in the Serum and Urine of Hospitalized Patients with COVID-19

(2023) Gerard Baiges-Gaya et al.   Biomolecules

Targeted and untargeted metabolomic analyses and biological activity of Tibetan tea

(2022) Yuntao Liu et al.   FOOD CHEMISTRY

Beyond Δ9-tetrahydrocannabinol and cannabidiol: chemical differentiation of cannabis varieties applying targeted and untargeted analysis

(2022) Manuela Carla Monti et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Migration time correction for dual pressure capillary electrophoresis in semi‐targeted metabolomics study

(2022) Zi‐Ao Huang et al.   ELECTROPHORESIS

Machine learning and semi-targeted lipidomics identify distinct serum lipid signatures in hospitalized COVID-19-positive and COVID-19-negative patients

(2022) Helena Castañé et al.   METABOLISM-CLINICAL AND EXPERIMENTAL

Pseudotargeted Metabolomic Fingerprinting and Deep Learning for Identification and Visualization of Common Pathogens

(2022) Ying Feng et al.   Frontiers in Microbiology

Investigation of pathogenesis of hyperuricemia based on untargeted and targeted metabolomics

(2022) Nankun Qin et al.   Scientific Reports

Pseudo-targeted metabolomics analysis of the therapeutic effect of phenolics-rich extract from Se-enriched green tea (Camellia sinensis) on LPS-stimulated murine macrophage (RAW264.7)

(2022) Zibian Fan et al.   FOOD RESEARCH INTERNATIONAL

Microbiota independent effects of oligosaccharides on Caco-2 cells -A semi-targeted metabolomics approach using DI-FT-ICR-MS coupled with pathway enrichment analysis

(2022) Julia Jensen-Kroll et al.   Frontiers in Molecular Biosciences

Omics-Driven Biotechnology for Industrial Applications

(2021) Bashar Amer et al.   Frontiers in Bioengineering and Biotechnology

Honey Phenolic Compound Profiling and Authenticity Assessment Using HRMS Targeted and Untargeted Metabolomics

(2021) Georgios A. Koulis et al.   MOLECULES

Early Breast Cancer Detection Using Untargeted and Targeted Metabolomics

(2021) Yiping Wei et al.   JOURNAL OF PROTEOME RESEARCH

Targeted and Untargeted Mass Spectrometry Reveals the Impact of High-Fat Diet on Peripheral Amino Acid Regulation in a Mouse Model of Alzheimer’s Disease

(2021) Amelia L. Taylor et al.   JOURNAL OF PROTEOME RESEARCH

Plasma and stool metabolomics to identify microbiota derived-biomarkers of metabolic dysfunction-associated fatty liver disease: effect of PNPLA3 genotype

(2021) Flavia Noelia Mazzini et al.   Metabolomics

Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices

(2021) Saleh Alseekh et al.   NATURE METHODS

Rationally designed bacterial consortia to treat chronic immune-mediated colitis and restore intestinal homeostasis

(2021) Daniel van der Lelie et al.   Nature Communications

Cross-Platform Evaluation of Commercially Targeted and Untargeted Metabolomics Approaches to Optimize the Investigation of Psychiatric Disease

(2021) Lauren E. Chaby et al.   Metabolites

The Mechanism of Traditional Chinese Medicine Based on Semi-Targeted Metabolomics to Improve IVF Outcomes in Senile Patients

(2021) Ying-Jie Ma et al.   Evidence-based Complementary and Alternative Medicine

Trapped Ion Mobility Incorporated in LC–HRMS Workflows as an Integral Analytical Platform of High Sensitivity: Targeted and Untargeted 4D-Metabolomics in Extra Virgin Olive Oil

(2021) Sofia K. Drakopoulou et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Targeted and Untargeted Metabolomics Profiling of Wheat Reveals Amino Acids Increase Resistance to Fusarium Head Blight

(2021) Peiying Zhao et al.   Frontiers in Plant Science

Skyline for Small Molecules: A Unifying Software Package for Quantitative Metabolomics

(2020) Kendra J. Adams et al.   JOURNAL OF PROTEOME RESEARCH

Semi-targeted metabolomic analysis provides the basis for enhanced antioxidant capacities in pigmented rice grains

(2020) Jhansi Narmada Reddy Kotamreddy et al.   Journal of Food Measurement and Characterization

Comparison of Full-Scan, Data-Dependent, and Data-Independent Acquisition Modes in Liquid Chromatography–Mass Spectrometry Based Untargeted Metabolomics

(2020) Jian Guo et al.   ANALYTICAL CHEMISTRY

Concepts and Software Package for Efficient Quality Control in Targeted Metabolomics Studies: MeTaQuaC

(2020) Mathias Kuhring et al.   ANALYTICAL CHEMISTRY

Semi-Targeted Metabolomics to Validate Biomarkers of Grape Downy Mildew Infection Under Field Conditions

(2020) Kévin Billet et al.   Plants-Basel

Bridging Targeted and Untargeted Mass Spectrometry-Based Metabolomics via Hybrid Approaches

(2020) Li Chen et al.   Metabolites

Qualitative Factor-Based Comparison of NMR, Targeted and Untargeted GC-MS and LC-MS on the Metabolomic Profiles of Rioja and Priorat Red Wines

(2020) Dimitrios Kioroglou et al.   Foods

Targeted and Untargeted Metabolomics as an Enhanced Tool for the Detection of Pomegranate Juice Adulteration

(2019) Marilena E. Dasenaki et al.   Foods

Authentication of Two Bio-Active Fish Oils by Qualitative Lipid Profiling Using Semi-Targeted Approach: An Exploratory Study

(2019) Niladri S Chatterjee et al.   JOURNAL OF AOAC INTERNATIONAL

Integrated semi-targeted metabolomics analysis reveals distinct metabolic dysregulation in pleural effusion caused by tuberculosis and malignancy

(2018) Nanying Che et al.   CLINICA CHIMICA ACTA

Next-generation metabolic screening: targeted and untargeted metabolomics for the diagnosis of inborn errors of metabolism in individual patients

(2018) Karlien L. M. Coene et al.   JOURNAL OF INHERITED METABOLIC DISEASE

Target and untargeted GC–MS based metabolomic study of mouse optic nerve and its potential in the study of neurological visual diseases

(2018) Carolina Gonzalez-Riano et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Integrating Targeted and Untargeted Metabolomics to Investigate the Processing Chemistry of Polygoni Multiflori Radix

(2018) Li Liang et al.   Frontiers in Pharmacology

Development of a metabolic pathway-based pseudo-targeted metabolomics method using liquid chromatography coupled with mass spectrometry

(2018) Jing Xu et al.   TALANTA

Endogenous and xenobiotic metabolic stability of primary human hepatocytes in long-term 3D spheroid cultures revealed by a combination of targeted and untargeted metabolomics

(2017) Sabine U. Vorrink et al.   FASEB JOURNAL

An improved pseudotargeted metabolomics approach using multiple ion monitoring with time-staggered ion lists based on ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry

(2016) Yang Wang et al.   ANALYTICA CHIMICA ACTA

Untargeted Metabolomics Strategies—Challenges and Emerging Directions

(2016) Alexandra C. Schrimpe-Rutledge et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

From targeted quantification to untargeted metabolomics: Why LC-high-resolution-MS will become a key instrument in clinical labs

(2016) Bertrand Rochat   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics

(2015) Tomas Cajka et al.   ANALYTICAL CHEMISTRY

Targeted and Untargeted Metabolomics to Explore the Bioavailability of the Secoiridoids from a Seed/Fruit Extract (Fraxinus angustifolia Vahl) in Human Healthy Volunteers: A Preliminary Study

(2015) Rocío García-Villalba et al.   MOLECULES

MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

(2015) Hiroshi Tsugawa et al.   NATURE METHODS

Two-dimensional ultra high pressure liquid chromatography quadrupole/time-of-flight mass spectrometry for semi-targeted natural compounds identification

(2014) Grégory Genta-Jouve et al.   Phytochemistry Letters

Pseudotargeted Metabolomics Method and Its Application in Serum Biomarker Discovery for Hepatocellular Carcinoma Based on Ultra High-Performance Liquid Chromatography/Triple Quadrupole Mass Spectrometry

(2013) Shili Chen et al.   ANALYTICAL CHEMISTRY

An Untargeted Metabolomic Workflow to Improve Structural Characterization of Metabolites

(2013) Igor Nikolskiy et al.   ANALYTICAL CHEMISTRY

Targeted and Untargeted Phytochemistry of Ligusticum canbyi: Indoleamines, Phthalides, Antioxidant Potential, and Use of Metabolomics as a Hypothesis-Generating Technique for Compound Discovery

(2013) Christina Turi et al.   PLANTA MEDICA

Semi-targeted metabolomic approaches to validate potential markers of health for micronutrients: analytical perspectives

(2012) Marie-Laure Bayle et al.   Metabolomics

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

(2012) Warwick B. Dunn et al.   Metabolomics

The Genomes OnLine Database (GOLD) v.4: status of genomic and metagenomic projects and their associated metadata

(2011) I. Pagani et al.   NUCLEIC ACIDS RESEARCH

Semi-targeted analysis of metabolites using capillary-flow ion chromatography coupled to high-resolution mass spectrometry

(2011) Karl Burgess et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

Targeted and untargeted profiling of biological fluids to screen for anabolic practices in cattle

(2010) G. Pinel et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

MetAlign: Interface-Driven, Versatile Metabolomics Tool for Hyphenated Full-Scan Mass Spectrometry Data Preprocessing

(2009) Arjen Lommen   ANALYTICAL CHEMISTRY